SMILES:
CC(C)(C)OC(=O)NC(Cc1ccc(-c2cc(OC(c3ccc(Br)cc3)C(F)(F)F)nc(N)n2)cc1)C(=O)OMolecular Processing
Molecular formula
C26H26BrF3N4O5
Molecular weight
611.41
Exact mass
610.1039
XLogP
5.69
TPSA
136.66
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
39
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
139.94
Supplementary Information
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